#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dw2 n ASP 2 N 0.00 0.73 -3.43 1.61 3.85 -0.08 -5.03 116.55 114.19 1dw2 n ASP 2 Ca 0.00 -1.15 -0.11 0.00 -0.71 0.00 0.00 54.79 52.82 1dw2 n ASP 2 Cb 0.00 0.00 -0.02 0.00 -1.35 0.00 0.00 41.12 39.75 1dw2 n ASP 2 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 1dw2 s THR 3 N -0.15 0.00 0.30 2.12 -1.32 -0.84 -4.90 115.64 110.85 1dw2 s THR 3 Ca 0.00 -1.30 0.10 0.00 -1.21 0.00 0.00 61.69 59.28 1dw2 s THR 3 Cb 0.00 -2.52 -0.05 0.00 -1.51 0.00 0.00 72.50 68.42 1dw2 s THR 3 CO 0.00 0.00 -0.07 -0.94 -2.21 0.00 0.00 174.62 171.40 1dw2 s SER 4 N -3.09 4.03 0.19 8.08 1.04 -1.26 -4.51 113.70 118.18 1dw2 s SER 4 Ca 0.22 -0.95 -0.12 0.00 0.48 0.00 0.00 55.95 55.58 1dw2 s SER 4 Cb -0.02 -0.51 0.17 0.00 0.10 0.00 0.00 66.02 65.75 1dw2 s SER 4 CO 0.13 -0.09 1.79 -0.65 0.98 0.00 0.00 173.24 175.40 1dw2 h PRO 5 N 1.99 0.51 -0.97 4.02 0.11 -1.87 -1.62 132.00 134.17 1dw2 h PRO 5 Ca -0.42 -0.03 0.11 0.00 0.11 0.00 0.00 66.00 65.77 1dw2 h PRO 5 Cb 1.25 -0.12 -0.08 0.00 0.11 0.00 0.00 31.00 32.17 1dw2 h PRO 5 CO 0.64 0.34 0.62 0.00 -0.21 0.00 0.00 178.00 179.39 1dw2 h ALA 6 N 1.30 1.55 -0.10 -0.75 0.00 -1.96 -0.40 119.26 118.91 1dw2 h ALA 6 Ca 0.24 0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.95 1dw2 h ALA 6 Cb 0.16 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1dw2 h ALA 6 CO -0.17 0.23 -0.78 0.37 0.00 0.00 0.00 179.25 178.89 1dw2 h GLN 7 N 0.98 0.58 -0.04 0.00 4.15 -1.89 0.67 115.11 119.56 1dw2 h GLN 7 Ca 0.47 -0.49 -0.01 0.00 0.77 0.00 0.00 58.65 59.39 1dw2 h GLN 7 Cb 0.44 0.11 -0.00 0.00 0.21 0.00 0.00 27.48 28.24 1dw2 h GLN 7 CO -0.23 1.12 0.00 -0.07 -1.93 0.00 0.00 178.83 177.72 1dw2 h LEU 8 N 0.39 0.08 -0.06 -2.39 3.38 -0.96 -2.60 115.31 113.15 1dw2 h LEU 8 Ca -0.05 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 1dw2 h LEU 8 Cb 1.39 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.12 1dw2 h LEU 8 CO 0.15 0.35 0.03 0.40 0.09 0.00 0.00 178.44 179.46 1dw2 h ILE 9 N -0.20 1.11 -0.96 1.22 2.04 -0.95 -2.21 117.51 117.55 1dw2 h ILE 9 Ca 0.01 -0.31 0.25 0.00 1.00 0.00 0.00 64.86 65.81 1dw2 h ILE 9 Cb 0.31 1.21 -0.06 0.00 -0.74 0.00 0.00 36.82 37.54 1dw2 h ILE 9 CO 0.00 0.09 0.65 0.00 0.00 0.00 0.00 178.15 178.89 1dw2 h ALA 10 N 0.90 2.47 0.09 1.87 0.00 0.38 0.43 119.26 125.40 1dw2 h ALA 10 Ca 0.02 0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.67 1dw2 h ALA 10 Cb 0.12 0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.95 1dw2 h ALA 10 CO -0.00 -0.78 -1.16 0.78 0.00 0.00 0.00 179.25 178.08 1dw2 h GLY 11 N 0.26 0.54 1.04 0.00 0.00 -1.10 -1.27 103.07 102.53 1dw2 h GLY 11 Ca 0.50 -1.13 -0.07 0.00 0.00 0.00 0.00 47.33 46.63 1dw2 h GLY 11 CO -0.14 0.99 0.15 -0.97 0.00 0.00 0.00 176.54 176.56 1dw2 h TYR 12 N 0.21 1.10 -0.83 5.60 0.99 -0.66 -2.00 116.97 121.38 1dw2 h TYR 12 Ca -0.15 -0.14 0.01 0.00 2.00 0.00 0.00 58.73 60.46 1dw2 h TYR 12 Cb 1.84 -0.31 -0.04 0.00 1.00 0.00 0.00 36.73 39.22 1dw2 h TYR 12 CO 0.09 0.92 0.55 0.93 -0.00 0.00 0.00 178.16 180.64 1dw2 h GLU 13 N 0.97 1.09 -0.64 4.88 5.08 -0.82 -0.14 114.58 124.99 1dw2 h GLU 13 Ca 0.20 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.43 1dw2 h GLU 13 Cb 0.38 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 1dw2 h GLU 13 CO 0.00 0.72 0.14 0.00 -1.00 0.00 0.00 179.01 178.87 1dw2 h ALA 14 N 1.30 0.85 -0.37 3.43 0.00 -1.02 0.32 119.26 123.77 1dw2 h ALA 14 Ca 0.30 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1dw2 h ALA 14 Cb -0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 1dw2 h ALA 14 CO -0.07 0.58 -0.22 0.00 0.00 0.00 0.00 179.25 179.54 1dw2 h ALA 15 N 1.05 0.91 0.00 0.00 0.00 -1.11 -2.98 119.26 117.13 1dw2 h ALA 15 Ca 0.20 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 54.59 1dw2 h ALA 15 Cb 0.39 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1dw2 h ALA 15 CO 0.01 0.62 -0.74 0.00 0.00 0.00 0.00 179.25 179.14 1dw2 h ALA 16 N 1.11 0.65 0.00 0.00 0.00 -0.81 -3.48 119.26 116.74 1dw2 h ALA 16 Ca 0.09 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1dw2 h ALA 16 Cb 0.72 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1dw2 h ALA 16 CO 0.06 0.92 0.00 0.41 0.00 0.00 0.00 179.25 180.64 1dw2 n GLY 17 N 0.89 0.55 3.59 0.00 0.00 0.10 -4.88 105.19 105.44 1dw2 n GLY 17 Ca -0.00 -0.83 -0.11 0.00 0.00 0.00 0.00 46.02 45.08 1dw2 n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dw2 s ALA 18 N -2.00 -1.93 0.63 4.61 0.00 -0.49 -5.03 121.76 117.54 1dw2 s ALA 18 Ca 0.00 1.64 -0.18 0.00 0.00 0.00 0.00 51.96 53.42 1dw2 s ALA 18 Cb 0.00 -0.84 -0.02 0.00 0.00 0.00 0.00 23.12 22.26 1dw2 s ALA 18 CO 0.00 -0.29 1.24 -1.25 0.00 0.00 0.00 175.76 175.46 1dw2 s PRO 19 N -0.81 2.72 0.71 0.00 0.04 -1.26 -4.46 135.00 131.95 1dw2 s PRO 19 Ca -0.01 1.91 -0.14 0.00 0.04 0.00 0.00 61.00 62.80 1dw2 s PRO 19 Cb -0.01 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.67 1dw2 s PRO 19 CO 0.00 -1.42 1.14 0.00 0.04 0.00 0.00 177.00 176.76 1dw2 s ALA 20 N -1.56 2.27 -0.26 8.56 0.00 -1.26 -4.95 121.76 124.56 1dw2 s ALA 20 Ca 0.79 0.61 -0.03 0.00 0.00 0.00 0.00 51.96 53.33 1dw2 s ALA 20 Cb -0.33 -3.36 0.09 0.00 0.00 0.00 0.00 23.12 19.51 1dw2 s ALA 20 CO 0.37 -1.62 0.09 0.34 0.00 0.00 0.00 175.76 174.94 1dw2 s ASP 21 N -2.54 3.44 0.53 0.00 2.15 -1.26 -4.94 116.67 114.05 1dw2 s ASP 21 Ca 0.68 -1.23 0.20 0.00 0.43 0.00 0.00 52.55 52.64 1dw2 s ASP 21 Cb -0.23 -0.59 1.34 0.00 -0.30 0.00 0.00 42.92 43.15 1dw2 s ASP 21 CO 0.46 -0.39 2.09 0.00 -0.17 0.00 0.00 175.17 177.16 1dw2 h ALA 22 N 8.25 2.16 -0.45 3.66 0.00 -1.88 -1.36 119.26 129.66 1dw2 h ALA 22 Ca -0.16 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1dw2 h ALA 22 Cb 1.05 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1dw2 h ALA 22 CO 0.41 -0.25 0.12 1.05 0.00 0.00 0.00 179.25 180.58 1dw2 h GLU 23 N 0.00 0.70 -0.17 0.00 9.09 -1.95 -0.51 114.58 121.75 1dw2 h GLU 23 Ca 0.09 -0.16 -0.08 0.00 0.05 0.00 0.00 59.36 59.26 1dw2 h GLU 23 Cb 0.39 -0.10 -0.01 0.00 -1.65 0.00 0.00 28.75 27.38 1dw2 h GLU 23 CO -0.00 0.70 -0.26 0.00 0.05 0.00 0.00 179.01 179.49 1dw2 h ARG 24 N 0.59 0.31 -0.25 1.06 3.08 -1.63 -1.44 114.38 116.10 1dw2 h ARG 24 Ca 0.14 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 1dw2 h ARG 24 Cb 0.30 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1dw2 h ARG 24 CO -0.00 0.56 0.02 0.78 -1.07 0.00 0.00 179.97 180.26 1dw2 h GLY 25 N 1.01 0.47 0.85 0.04 0.00 -0.76 -1.81 103.07 102.87 1dw2 h GLY 25 Ca 0.04 -0.33 0.03 0.00 0.00 0.00 0.00 47.33 47.07 1dw2 h GLY 25 CO 0.04 0.31 0.32 -0.09 0.00 0.00 0.00 176.54 177.12 1dw2 h ARG 26 N 0.23 0.61 -0.18 4.80 2.43 -0.94 -0.25 114.38 121.07 1dw2 h ARG 26 Ca 0.07 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.11 1dw2 h ARG 26 Cb 0.38 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1dw2 h ARG 26 CO 0.01 0.40 -0.31 0.00 -1.51 0.00 0.00 179.97 178.56 1dw2 h ALA 27 N 1.25 1.14 -0.13 2.80 0.00 -1.17 -1.87 119.26 121.27 1dw2 h ALA 27 Ca 0.22 -0.36 -0.23 0.00 0.00 0.00 0.00 54.91 54.54 1dw2 h ALA 27 Cb 0.04 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.74 1dw2 h ALA 27 CO -0.11 0.55 -0.81 1.25 0.00 0.00 0.00 179.25 180.14 1dw2 h LEU 28 N 0.31 0.90 -0.87 0.00 5.85 -1.00 -2.76 115.31 117.74 1dw2 h LEU 28 Ca 0.04 -0.60 -0.03 0.00 0.84 0.00 0.00 57.88 58.13 1dw2 h LEU 28 Cb 0.71 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 1dw2 h LEU 28 CO 0.05 1.40 0.44 0.15 -0.34 0.00 0.00 178.44 180.15 1dw2 h PHE 29 N 0.50 1.24 0.00 1.25 3.57 -0.72 -2.56 116.94 120.22 1dw2 h PHE 29 Ca -0.06 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.39 1dw2 h PHE 29 Cb 1.44 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 39.79 1dw2 h PHE 29 CO 0.08 0.88 -0.17 1.28 -2.23 0.00 0.00 178.31 178.15 1dw2 n LEU 30 N -4.31 0.63 -4.74 0.59 4.77 -0.73 -3.59 117.00 109.61 1dw2 n LEU 30 Ca 0.09 0.45 -0.30 0.00 -0.03 0.00 0.00 56.01 56.22 1dw2 n LEU 30 Cb 0.12 -0.32 0.12 0.00 -2.33 0.00 0.00 43.42 41.02 1dw2 n LEU 30 CO 0.39 -0.10 0.68 -0.94 -1.33 0.00 0.00 177.39 176.09 1dw2 s SER 31 N -4.11 3.89 -0.18 -1.43 1.04 -0.97 -4.91 113.70 107.03 1dw2 s SER 31 Ca 0.10 1.59 -0.07 0.00 0.48 0.00 0.00 55.95 58.05 1dw2 s SER 31 Cb 0.14 -2.28 -0.04 0.00 0.10 0.00 0.00 66.02 63.94 1dw2 s SER 31 CO 0.62 -2.39 0.05 -0.89 0.98 0.00 0.00 173.24 171.61 1dw2 s THR 32 N -2.94 4.66 0.21 2.02 2.01 -1.26 -4.42 115.64 115.93 1dw2 s THR 32 Ca 0.62 -0.08 0.10 0.00 0.31 0.00 0.00 61.69 62.64 1dw2 s THR 32 Cb -0.17 -3.10 -0.04 0.00 0.01 0.00 0.00 72.50 69.19 1dw2 s THR 32 CO 0.56 0.45 -0.10 -1.10 -0.69 0.00 0.00 174.62 173.75 1dw2 s GLN 33 N 0.46 2.02 0.00 4.92 -1.52 0.26 -5.00 119.66 120.79 1dw2 s GLN 33 Ca 0.02 -1.39 0.00 0.00 -1.95 0.00 0.00 55.36 52.05 1dw2 s GLN 33 Cb -0.13 -2.08 0.00 0.00 -0.22 0.00 0.00 33.01 30.58 1dw2 s GLN 33 CO 0.01 0.40 0.53 0.25 -0.25 0.00 0.00 175.29 176.24 1dw2 n THR 34 N -0.24 0.18 1.43 -0.19 -2.24 -1.26 -4.62 114.28 107.34 1dw2 n THR 34 Ca -0.09 -0.52 0.14 0.00 -2.27 0.00 0.00 64.05 61.31 1dw2 n THR 34 Cb 0.57 1.02 0.49 0.00 -2.10 0.00 0.00 70.33 70.31 1dw2 n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dw2 n GLY 35 N -0.09 -0.22 0.00 3.38 0.00 -1.26 -4.96 105.19 102.03 1dw2 n GLY 35 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1dw2 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dw2 n GLY 36 N 1.22 3.61 3.76 -0.02 0.00 -1.17 -4.11 105.19 108.48 1dw2 n GLY 36 Ca 0.17 -1.80 -0.37 0.00 0.00 0.00 0.00 46.02 44.02 1dw2 n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dw2 s LYS 37 N 3.49 3.38 0.29 1.61 1.02 0.27 -4.91 119.74 124.90 1dw2 s LYS 37 Ca 0.00 1.91 0.00 0.00 0.02 0.00 0.00 55.97 57.90 1dw2 s LYS 37 Cb 0.00 -2.24 0.45 0.00 -0.52 0.00 0.00 37.83 35.53 1dw2 s LYS 37 CO 0.00 -0.90 1.83 -1.00 -0.92 0.00 0.00 175.35 174.37 1dw2 h PRO 38 N 1.57 0.73 -0.05 -1.68 0.13 -1.96 -2.93 132.00 127.82 1dw2 h PRO 38 Ca -0.50 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 1dw2 h PRO 38 Cb 1.27 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1dw2 h PRO 38 CO 0.58 0.70 0.00 -0.40 -0.23 0.00 0.00 178.00 178.65 1dw2 n ASP 39 N -4.27 0.78 -3.26 1.44 3.85 -1.26 -4.30 116.55 109.54 1dw2 n ASP 39 Ca 0.03 -1.41 -0.25 0.00 -0.71 0.00 0.00 54.79 52.45 1dw2 n ASP 39 Cb 0.24 -0.03 -0.08 0.00 -1.35 0.00 0.00 41.12 39.90 1dw2 n ASP 39 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 1dw2 n THR 40 N -0.32 -0.59 0.46 2.12 -2.24 -1.11 -4.97 114.28 107.63 1dw2 n THR 40 Ca 0.18 -3.97 0.13 0.00 -2.27 0.00 0.00 64.05 58.12 1dw2 n THR 40 Cb 0.21 -1.91 0.44 0.00 -2.10 0.00 0.00 70.33 66.98 1dw2 n THR 40 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1dw2 h PRO 41 N 4.37 0.00 -3.72 -0.78 0.13 -1.75 -3.35 132.00 126.90 1dw2 h PRO 41 Ca 0.12 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.16 1dw2 h PRO 41 Cb 0.87 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.85 1dw2 h PRO 41 CO 0.47 0.00 -0.35 0.45 -0.23 0.00 0.00 178.00 178.33 1dw2 s SER 42 N -4.74 0.08 0.33 1.44 0.15 -1.26 0.89 113.70 110.60 1dw2 s SER 42 Ca 0.07 -0.56 0.02 0.00 0.70 0.00 0.00 55.95 56.18 1dw2 s SER 42 Cb 0.10 0.34 0.61 0.00 -1.71 0.00 0.00 66.02 65.35 1dw2 s SER 42 CO 0.52 -0.70 1.96 0.00 1.20 0.00 0.00 173.24 176.23 1dw2 h THR 44 N 0.92 0.00 -0.66 0.00 1.35 -1.77 -2.22 112.91 110.52 1dw2 h THR 44 Ca 0.31 -0.30 0.09 0.00 -0.55 0.00 0.00 66.41 65.95 1dw2 h THR 44 Cb 0.07 1.19 -0.04 0.00 -1.73 0.00 0.00 68.15 67.64 1dw2 h THR 44 CO -0.09 0.00 0.44 0.74 -0.25 0.00 0.00 175.52 176.36 1dw2 h THR 45 N 0.00 0.94 0.00 6.82 2.02 -1.46 0.23 112.91 121.46 1dw2 h THR 45 Ca 0.00 -0.19 -0.32 0.00 0.77 0.00 0.00 66.41 66.67 1dw2 h THR 45 Cb 0.34 0.34 -0.06 0.00 -1.74 0.00 0.00 68.15 67.03 1dw2 h THR 45 CO 0.00 0.10 -2.21 0.00 0.37 0.00 0.00 175.52 173.79 1dw2 n HIS 47 N -3.11 0.00 -0.07 0.00 8.25 -0.86 0.59 115.22 120.01 1dw2 n HIS 47 Ca -0.37 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.10 1dw2 n HIS 47 Cb 0.90 -0.20 -0.00 0.00 1.12 0.00 0.00 29.99 31.80 1dw2 n HIS 47 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dw2 n GLY 48 N 1.34 -1.97 0.28 -1.41 0.00 0.81 -4.41 105.19 99.83 1dw2 n GLY 48 Ca 0.12 -1.48 0.13 0.00 0.00 0.00 0.00 46.02 44.79 1dw2 n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dw2 n ALA 49 N -2.53 3.12 -3.90 4.61 0.00 -1.26 -4.44 120.51 116.10 1dw2 n ALA 49 Ca -0.00 -0.43 -0.30 0.00 0.00 0.00 0.00 53.44 52.70 1dw2 n ALA 49 Cb 0.03 -1.09 -0.15 0.00 0.00 0.00 0.00 19.45 18.24 1dw2 n ALA 49 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1dw2 s ASP 50 N -2.48 3.96 0.00 0.00 3.68 -1.26 -4.98 116.67 115.58 1dw2 s ASP 50 Ca 0.24 -1.37 0.28 0.00 2.13 0.00 0.00 52.55 53.83 1dw2 s ASP 50 Cb 0.19 -1.16 1.56 0.00 -1.45 0.00 0.00 42.92 42.07 1dw2 s ASP 50 CO 0.52 -0.29 2.01 1.33 0.13 0.00 0.00 175.17 178.87 1dw2 n VAL 51 N 4.66 0.05 1.08 1.11 0.24 -1.26 -1.25 118.33 122.96 1dw2 n VAL 51 Ca -0.08 0.01 0.13 0.00 -2.04 0.00 0.00 64.34 62.37 1dw2 n VAL 51 Cb 0.44 -0.56 0.51 0.00 -1.47 0.00 0.00 33.84 32.76 1dw2 n VAL 51 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1dw2 n THR 52 N -1.15 0.00 -4.09 3.34 -2.24 -1.26 -1.06 114.28 107.82 1dw2 n THR 52 Ca 0.17 -0.01 -0.22 0.00 -2.27 0.00 0.00 64.05 61.72 1dw2 n THR 52 Cb 0.16 -0.20 -0.05 0.00 -2.10 0.00 0.00 70.33 68.14 1dw2 n THR 52 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1dw2 s ARG 53 N -2.91 2.78 0.70 -0.78 0.52 -0.38 -4.88 118.95 114.00 1dw2 s ARG 53 Ca 0.16 -1.17 -0.16 0.00 -0.52 0.00 0.00 55.73 54.03 1dw2 s ARG 53 Cb 0.19 -2.47 0.02 0.00 0.52 0.00 0.00 34.95 33.20 1dw2 s ARG 53 CO 0.57 0.33 1.25 0.00 0.02 0.00 0.00 175.30 177.47 1dw2 s ALA 54 N -2.21 2.21 0.00 2.13 0.00 -1.26 -4.26 121.76 118.37 1dw2 s ALA 54 Ca 0.34 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.36 1dw2 s ALA 54 Cb -0.07 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1dw2 s ALA 54 CO 0.24 -1.79 0.00 0.41 0.00 0.00 0.00 175.76 174.63 1dw2 n GLY 55 N 0.69 2.61 3.16 0.00 0.00 0.63 -4.80 105.19 107.48 1dw2 n GLY 55 Ca 0.15 -2.14 -0.13 0.00 0.00 0.00 0.00 46.02 43.90 1dw2 n GLY 55 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1dw2 s GLN 56 N -1.44 0.35 0.98 1.61 1.03 0.20 -1.23 119.66 121.15 1dw2 s GLN 56 Ca 0.00 0.31 -0.16 0.00 0.04 0.00 0.00 55.36 55.55 1dw2 s GLN 56 Cb 0.00 0.17 0.20 0.00 0.03 0.00 0.00 33.01 33.40 1dw2 s GLN 56 CO 0.00 -0.05 1.27 0.95 -2.54 0.00 0.00 175.29 174.92 1dw2 s THR 57 N -0.01 1.94 -1.18 3.63 -4.23 0.24 -4.28 115.64 111.75 1dw2 s THR 57 Ca -0.01 0.00 0.10 0.00 -1.18 0.00 0.00 61.69 60.59 1dw2 s THR 57 Cb -0.02 -2.91 0.12 0.00 1.34 0.00 0.00 72.50 71.03 1dw2 s THR 57 CO 0.01 0.00 1.27 0.54 -0.54 0.00 0.00 174.62 175.89 1dw2 n ARG 58 N -3.87 0.06 -0.27 3.99 5.12 -1.26 -1.04 116.66 119.39 1dw2 n ARG 58 Ca 0.14 0.28 0.08 0.00 -1.93 0.00 0.00 57.85 56.41 1dw2 n ARG 58 Cb 0.60 -1.50 0.19 0.00 -1.16 0.00 0.00 32.46 30.59 1dw2 n ARG 58 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1dw2 n THR 59 N -1.41 1.87 -0.87 0.55 -2.24 -1.26 -4.97 114.28 105.95 1dw2 n THR 59 Ca 0.03 -1.77 0.00 0.00 -2.27 0.00 0.00 64.05 60.05 1dw2 n THR 59 Cb 0.10 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 1dw2 n THR 59 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dw2 n GLY 60 N -0.59 0.47 3.87 3.38 0.00 -0.20 -5.05 105.19 107.07 1dw2 n GLY 60 Ca 0.17 -0.84 -0.31 0.00 0.00 0.00 0.00 46.02 45.04 1dw2 n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dw2 s LYS 61 N -1.54 3.85 0.25 1.61 -0.14 -1.26 -4.78 119.74 117.73 1dw2 s LYS 61 Ca 0.00 0.46 -0.30 0.00 -1.36 0.00 0.00 55.97 54.77 1dw2 s LYS 61 Cb 0.00 -2.48 -0.09 0.00 -1.68 0.00 0.00 37.83 33.58 1dw2 s LYS 61 CO 0.00 0.13 1.13 -2.00 -0.76 0.00 0.00 175.35 173.84 1dw2 s GLU 62 N -3.31 4.59 -0.12 1.68 2.12 -1.26 -0.59 118.70 121.81 1dw2 s GLU 62 Ca 0.51 1.83 0.03 0.00 0.36 0.00 0.00 54.97 57.69 1dw2 s GLU 62 Cb -0.10 -3.20 -0.00 0.00 0.26 0.00 0.00 34.13 31.08 1dw2 s GLU 62 CO 0.24 0.11 -0.21 0.42 -0.54 0.00 0.00 175.26 175.29 1dw2 s ILE 63 N -0.82 2.28 0.51 -3.70 1.01 -0.37 -4.83 121.20 115.28 1dw2 s ILE 63 Ca 0.47 -0.93 -0.23 0.00 0.00 0.00 0.00 60.65 59.96 1dw2 s ILE 63 Cb -0.32 -1.90 -0.07 0.00 0.01 0.00 0.00 42.46 40.18 1dw2 s ILE 63 CO 0.40 0.55 1.27 0.00 0.00 0.00 0.00 174.94 177.16 1dw2 n ALA 64 N 3.70 1.27 -1.49 9.38 0.00 -1.26 -0.27 120.51 131.84 1dw2 n ALA 64 Ca -0.19 0.16 -0.46 0.00 0.00 0.00 0.00 53.44 52.95 1dw2 n ALA 64 Cb 0.52 -2.29 -0.02 0.00 0.00 0.00 0.00 19.45 17.67 1dw2 n ALA 64 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1dw2 n PRO 65 N -0.61 0.70 0.17 0.00 -0.02 -1.26 -4.54 135.00 129.44 1dw2 n PRO 65 Ca 0.09 0.25 0.06 0.00 -2.02 0.00 0.00 63.50 61.88 1dw2 n PRO 65 Cb 0.43 -1.45 0.11 0.00 -0.02 0.00 0.00 33.50 32.57 1dw2 n PRO 65 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1dw2 h LEU 66 N 1.45 0.00 -9.66 2.45 3.38 -1.56 -3.40 115.31 107.97 1dw2 h LEU 66 Ca -0.35 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.10 1dw2 h LEU 66 Cb 1.39 0.00 0.05 0.00 0.09 0.00 0.00 40.66 42.18 1dw2 h LEU 66 CO 0.58 0.33 0.78 0.00 0.09 0.00 0.00 178.44 180.22 1dw2 s ALA 67 N -3.10 3.66 0.43 1.53 0.00 -0.23 -4.85 121.76 119.21 1dw2 s ALA 67 Ca 0.05 1.29 0.21 0.00 0.00 0.00 0.00 51.96 53.51 1dw2 s ALA 67 Cb 0.07 -3.57 1.23 0.00 0.00 0.00 0.00 23.12 20.86 1dw2 s ALA 67 CO 0.71 -0.71 2.03 -1.35 0.00 0.00 0.00 175.76 176.43 1dw2 h PRO 68 N 5.89 0.00 -0.38 0.00 0.11 -1.77 0.52 132.00 136.37 1dw2 h PRO 68 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1dw2 h PRO 68 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1dw2 h PRO 68 CO 0.83 0.16 0.24 0.66 -0.21 0.00 0.00 178.00 179.68 1dw2 h SER 69 N 0.00 0.44 0.00 -2.05 4.64 -1.91 -3.04 113.55 111.63 1dw2 h SER 69 Ca -0.00 -0.02 -0.36 0.00 -0.47 0.00 0.00 61.79 60.95 1dw2 h SER 69 Cb 0.35 -0.11 -0.06 0.00 -0.31 0.00 0.00 62.40 62.26 1dw2 h SER 69 CO 0.02 0.33 -2.35 0.00 -0.87 0.00 0.00 176.83 173.96 1dw2 n ALA 70 N -2.48 1.49 -3.99 5.18 0.00 -0.33 -4.84 120.51 115.53 1dw2 n ALA 70 Ca 0.03 -1.06 -0.31 0.00 0.00 0.00 0.00 53.44 52.09 1dw2 n ALA 70 Cb 0.07 -0.07 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 1dw2 n ALA 70 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1dw2 s THR 71 N -2.47 1.96 0.32 0.00 -1.32 0.17 -4.97 115.64 109.33 1dw2 s THR 71 Ca -0.28 -1.79 0.01 0.00 -1.21 0.00 0.00 61.69 58.42 1dw2 s THR 71 Cb 0.08 -2.27 0.28 0.00 -1.51 0.00 0.00 72.50 69.07 1dw2 s THR 71 CO 0.59 -0.31 1.95 -0.65 -2.21 0.00 0.00 174.62 173.99 1dw2 h PRO 72 N 7.78 0.94 -0.87 7.08 0.11 -1.83 -2.96 132.00 142.24 1dw2 h PRO 72 Ca -0.13 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.92 1dw2 h PRO 72 Cb 1.04 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.93 1dw2 h PRO 72 CO 0.47 0.62 0.01 -0.40 -0.21 0.00 0.00 178.00 178.49 1dw2 n ASP 73 N -4.46 2.54 -4.76 -2.05 5.75 -1.26 -4.90 116.55 107.41 1dw2 n ASP 73 Ca 0.11 -2.30 -0.41 0.00 -0.01 0.00 0.00 54.79 52.17 1dw2 n ASP 73 Cb 0.13 -0.56 -0.01 0.00 -1.03 0.00 0.00 41.12 39.65 1dw2 n ASP 73 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1dw2 s ARG 74 N -1.55 4.14 -1.18 0.11 1.81 -1.12 -3.28 118.95 117.87 1dw2 s ARG 74 Ca 0.17 2.54 -0.07 0.00 -1.72 0.00 0.00 55.73 56.66 1dw2 s ARG 74 Cb 0.13 -3.01 0.01 0.00 -0.45 0.00 0.00 34.95 31.63 1dw2 s ARG 74 CO 0.05 -0.56 0.93 1.19 -0.68 0.00 0.00 175.30 176.23 1dw2 n PHE 75 N 1.49 -2.34 -0.80 -0.53 3.72 -1.26 -4.83 117.46 112.91 1dw2 n PHE 75 Ca 0.05 0.80 0.08 0.00 -0.05 0.00 0.00 57.45 58.33 1dw2 n PHE 75 Cb 0.38 -4.36 0.12 0.00 -0.94 0.00 0.00 39.48 34.69 1dw2 n PHE 75 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1dw2 n THR 76 N -4.59 1.71 -3.56 4.37 -2.24 -1.21 -3.29 114.28 105.48 1dw2 n THR 76 Ca -0.01 -1.91 -0.24 0.00 -2.27 0.00 0.00 64.05 59.63 1dw2 n THR 76 Cb 0.56 -0.05 -0.15 0.00 -2.10 0.00 0.00 70.33 68.58 1dw2 n THR 76 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1dw2 s ASP 77 N -2.30 2.20 0.17 3.42 -1.08 -1.26 -0.91 116.67 116.90 1dw2 s ASP 77 Ca 0.26 -0.60 -0.13 0.00 -0.52 0.00 0.00 52.55 51.56 1dw2 s ASP 77 Cb 0.22 -0.04 0.07 0.00 -1.46 0.00 0.00 42.92 41.71 1dw2 s ASP 77 CO 0.03 -0.36 1.75 0.77 0.52 0.00 0.00 175.17 177.88 1dw2 h SER 78 N 8.38 0.75 -0.69 -0.34 4.64 -1.90 -2.87 113.55 121.51 1dw2 h SER 78 Ca -0.16 -0.14 0.03 0.00 -0.47 0.00 0.00 61.79 61.05 1dw2 h SER 78 Cb 1.13 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 62.98 1dw2 h SER 78 CO 0.31 0.67 0.43 0.00 -0.87 0.00 0.00 176.83 177.38 1dw2 h ALA 79 N 1.10 0.89 -0.88 5.18 0.00 -1.99 -2.79 119.26 120.77 1dw2 h ALA 79 Ca 0.19 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1dw2 h ALA 79 Cb 0.13 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1dw2 h ALA 79 CO -0.02 0.21 0.58 -0.09 0.00 0.00 0.00 179.25 179.93 1dw2 h ARG 80 N 0.85 1.11 -0.24 0.00 2.43 -1.94 0.15 114.38 116.74 1dw2 h ARG 80 Ca 0.27 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.36 1dw2 h ARG 80 Cb -0.00 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.29 1dw2 h ARG 80 CO -0.10 0.74 0.08 0.28 -1.51 0.00 0.00 179.97 179.46 1dw2 h VAL 81 N 1.15 1.19 -0.42 0.20 2.07 -1.47 -1.21 116.25 117.74 1dw2 h VAL 81 Ca 0.34 -0.58 -0.06 0.00 0.82 0.00 0.00 66.70 67.22 1dw2 h VAL 81 Cb -0.05 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1dw2 h VAL 81 CO -0.10 0.19 0.04 -0.33 0.02 0.00 0.00 177.57 177.39 1dw2 h GLU 82 N 0.23 0.72 -0.58 1.57 4.39 -1.34 0.14 114.58 119.72 1dw2 h GLU 82 Ca 0.08 -0.21 0.01 0.00 0.34 0.00 0.00 59.36 59.58 1dw2 h GLU 82 Cb 0.22 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.76 1dw2 h GLU 82 CO -0.00 0.78 0.37 -0.22 -1.16 0.00 0.00 179.01 178.78 1dw2 h LYS 83 N 0.57 0.72 0.01 2.33 3.64 -0.45 -1.39 116.57 122.00 1dw2 h LYS 83 Ca 0.12 -0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 59.28 1dw2 h LYS 83 Cb 0.43 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1dw2 h LYS 83 CO 0.01 0.48 -0.69 -1.49 -2.27 0.00 0.00 179.45 175.49 1dw2 h TRP 84 N 0.75 0.69 -0.23 1.91 4.06 -1.04 -2.60 115.95 119.49 1dw2 h TRP 84 Ca 0.22 -0.38 -0.05 0.00 2.06 0.00 0.00 58.89 60.75 1dw2 h TRP 84 Cb -0.04 -0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 28.03 1dw2 h TRP 84 CO -0.04 1.20 -0.07 -0.07 -3.56 0.00 0.00 178.44 175.90 1dw2 h LEU 85 N -0.02 0.33 -0.57 -4.49 3.38 -0.78 0.24 115.31 113.40 1dw2 h LEU 85 Ca -0.09 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 1dw2 h LEU 85 Cb 1.40 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 42.04 1dw2 h LEU 85 CO 0.14 0.44 0.12 1.23 0.09 0.00 0.00 178.44 180.46 1dw2 h GLY 86 N 0.76 0.99 0.41 0.83 0.00 -1.22 1.00 103.07 105.84 1dw2 h GLY 86 Ca 0.07 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 1dw2 h GLY 86 CO 0.02 0.59 -0.11 -0.09 0.00 0.00 0.00 176.54 176.95 1dw2 h ARG 87 N 0.82 -0.29 0.00 4.80 2.43 -0.97 -3.31 114.38 117.87 1dw2 h ARG 87 Ca 0.18 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1dw2 h ARG 87 Cb 0.37 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1dw2 h ARG 87 CO 0.00 0.08 -0.26 0.09 -1.51 0.00 0.00 179.97 178.38 1dw2 n ASN 88 N -4.99 0.28 -0.13 -3.80 3.02 0.77 -2.41 115.26 108.01 1dw2 n ASN 88 Ca -0.08 0.13 -0.12 0.00 -0.03 0.00 0.00 54.58 54.49 1dw2 n ASN 88 Cb 0.26 -0.13 -0.02 0.00 -0.61 0.00 0.00 39.78 39.28 1dw2 n ASN 88 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1dw2 h ASN 90 N 0.64 0.22 -1.00 0.00 4.21 -1.46 0.13 115.58 118.33 1dw2 h ASN 90 Ca 0.09 -0.31 0.03 0.00 1.21 0.00 0.00 56.30 57.32 1dw2 h ASN 90 Cb 0.77 -0.06 -0.06 0.00 -1.12 0.00 0.00 38.32 37.85 1dw2 h ASN 90 CO 0.06 0.48 0.66 0.28 -1.29 0.00 0.00 177.43 177.62 1dw2 h SER 91 N -0.04 1.10 0.00 5.81 0.02 -1.43 0.40 113.55 119.40 1dw2 h SER 91 Ca 0.04 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.85 1dw2 h SER 91 Cb 0.36 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 1dw2 h SER 91 CO 0.01 0.76 -0.76 0.58 -1.14 0.00 0.00 176.83 176.27 1dw2 h VAL 92 N 1.28 0.87 0.00 2.27 2.07 -1.38 0.77 116.25 122.12 1dw2 h VAL 92 Ca 0.39 -1.92 -0.11 0.00 0.82 0.00 0.00 66.70 65.88 1dw2 h VAL 92 Cb -0.02 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 1dw2 h VAL 92 CO -0.12 0.30 -1.41 -0.38 0.02 0.00 0.00 177.57 175.98 1dw2 n ILE 93 N -4.53 0.90 -0.25 4.57 5.41 0.42 -3.07 119.36 122.81 1dw2 n ILE 93 Ca -0.21 -0.64 0.00 0.00 1.00 0.00 0.00 62.75 62.91 1dw2 n ILE 93 Cb 0.51 -0.52 0.00 0.00 -0.71 0.00 0.00 39.64 38.92 1dw2 n ILE 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1dw2 n GLY 94 N 1.34 0.65 3.65 7.39 0.00 0.14 -3.94 105.19 114.41 1dw2 n GLY 94 Ca -0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 1dw2 n GLY 94 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1dw2 s ARG 95 N -0.73 1.66 0.56 1.61 1.70 -1.25 -4.92 118.95 117.58 1dw2 s ARG 95 Ca 0.00 -1.25 -0.20 0.00 -0.47 0.00 0.00 55.73 53.81 1dw2 s ARG 95 Cb 0.00 0.50 -0.04 0.00 -0.57 0.00 0.00 34.95 34.84 1dw2 s ARG 95 CO 0.00 -0.71 1.22 -0.51 -1.08 0.00 0.00 175.30 174.22 1dw2 s ASP 96 N -3.02 5.37 0.47 -2.89 1.01 -1.26 -3.06 116.67 113.29 1dw2 s ASP 96 Ca 0.20 2.42 -0.22 0.00 0.71 0.00 0.00 52.55 55.67 1dw2 s ASP 96 Cb -0.02 -2.60 -0.08 0.00 1.01 0.00 0.00 42.92 41.23 1dw2 s ASP 96 CO 0.10 -1.47 1.08 0.00 0.21 0.00 0.00 175.17 175.09 1dw2 s THR 98 N -1.77 3.66 0.30 0.00 -4.23 -1.26 -4.86 115.64 107.47 1dw2 s THR 98 Ca 0.65 0.28 0.01 0.00 -1.18 0.00 0.00 61.69 61.45 1dw2 s THR 98 Cb -0.22 -3.50 0.29 0.00 1.34 0.00 0.00 72.50 70.41 1dw2 s THR 98 CO 0.26 -0.59 1.88 -0.65 -0.54 0.00 0.00 174.62 174.98 1dw2 h PRO 99 N -0.40 0.97 -0.71 3.99 0.11 -1.93 0.18 132.00 134.20 1dw2 h PRO 99 Ca -0.45 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.54 1dw2 h PRO 99 Cb 1.25 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 1dw2 h PRO 99 CO 0.62 0.64 0.20 0.78 -0.21 0.00 0.00 178.00 180.04 1dw2 h GLY 100 N 1.00 1.20 1.02 -0.55 0.00 -1.90 -1.16 103.07 102.68 1dw2 h GLY 100 Ca 0.44 -0.72 -0.08 0.00 0.00 0.00 0.00 47.33 46.97 1dw2 h GLY 100 CO -0.20 0.67 0.01 0.83 0.00 0.00 0.00 176.54 177.85 1dw2 h GLU 101 N 1.07 0.91 -0.55 4.80 5.08 -1.46 -0.95 114.58 123.48 1dw2 h GLU 101 Ca 0.23 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1dw2 h GLU 101 Cb 0.32 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1dw2 h GLU 101 CO -0.00 0.93 0.23 0.87 -1.00 0.00 0.00 179.01 180.03 1dw2 h LYS 102 N 0.78 0.82 -0.28 2.33 1.57 -0.83 0.17 116.57 121.12 1dw2 h LYS 102 Ca 0.15 -0.14 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1dw2 h LYS 102 Cb 0.51 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 1dw2 h LYS 102 CO 0.02 0.70 0.10 0.00 -0.57 0.00 0.00 179.45 179.71 1dw2 h ALA 103 N 1.07 0.32 -0.30 3.86 0.00 -1.07 -1.34 119.26 121.79 1dw2 h ALA 103 Ca 0.18 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1dw2 h ALA 103 Cb 0.18 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1dw2 h ALA 103 CO -0.02 -0.31 0.08 -0.44 0.00 0.00 0.00 179.25 178.57 1dw2 h ASP 104 N 0.23 0.46 -0.25 0.00 3.45 -0.73 -0.91 116.42 118.67 1dw2 h ASP 104 Ca 0.12 -0.22 -0.02 0.00 0.43 0.00 0.00 57.03 57.34 1dw2 h ASP 104 Cb 0.09 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 38.73 1dw2 h ASP 104 CO -0.12 0.56 0.09 -0.07 -1.57 0.00 0.00 179.24 178.13 1dw2 h LEU 105 N 0.33 0.35 -0.69 1.55 3.38 -0.62 -2.55 115.31 117.07 1dw2 h LEU 105 Ca 0.10 -0.18 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 1dw2 h LEU 105 Cb 0.28 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1dw2 h LEU 105 CO -0.00 0.44 -0.34 -0.07 0.09 0.00 0.00 178.44 178.56 1dw2 h LEU 106 N 0.24 0.66 -1.39 1.67 3.38 -1.24 0.16 115.31 118.79 1dw2 h LEU 106 Ca 0.08 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.81 1dw2 h LEU 106 Cb 0.21 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1dw2 h LEU 106 CO -0.00 0.95 0.44 0.00 0.09 0.00 0.00 178.44 179.92 1dw2 h ALA 107 N 1.09 1.63 -0.00 1.53 0.00 -1.09 0.29 119.26 122.71 1dw2 h ALA 107 Ca 0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1dw2 h ALA 107 Cb 0.84 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1dw2 h ALA 107 CO 0.07 0.30 -0.12 2.35 0.00 0.00 0.00 179.25 181.85 1dw2 h TRP 108 N 0.80 0.13 -0.47 0.00 7.01 -1.10 -3.33 115.95 118.98 1dw2 h TRP 108 Ca 0.27 -0.07 -0.06 0.00 2.11 0.00 0.00 58.89 61.14 1dw2 h TRP 108 Cb 0.08 -0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.10 1dw2 h TRP 108 CO -0.00 0.85 0.04 -0.07 -2.79 0.00 0.00 178.44 176.47 1dw2 h LEU 109 N -0.63 0.71 -2.20 0.65 3.38 -0.69 -2.81 115.31 113.72 1dw2 h LEU 109 Ca -0.01 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1dw2 h LEU 109 Cb 0.88 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 1dw2 h LEU 109 CO 0.02 0.75 -0.06 0.00 0.09 0.00 0.00 178.44 179.24 1dw2 h ALA 110 N 1.33 1.36 -0.17 1.53 0.00 -0.56 -2.01 119.26 120.74 1dw2 h ALA 110 Ca 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1dw2 h ALA 110 Cb 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1dw2 h ALA 110 CO 0.01 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.34 1dw2 n ALA 111 N -2.28 2.52 1.52 0.00 0.00 -1.06 -4.75 120.51 116.45 1dw2 n ALA 111 Ca -0.02 -0.53 0.14 0.00 0.00 0.00 0.00 53.44 53.03 1dw2 n ALA 111 Cb 0.16 -1.08 0.54 0.00 0.00 0.00 0.00 19.45 19.07 1dw2 n ALA 111 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54